1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine

C25H35N3 — CID 127033888

IUPAC1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine
SMILESc1ccc(CC2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C25H35N3/c1-3-8-23(9-4-1)22-24-12-16-26(17-13-24)14-7-15-27-18-20-28(21-19-27)25-10-5-2-6-11-25/h1-6,8-11,24H,7,12-22H2
InChIKeyKCPRNASEOVRNMY-UHFFFAOYSA-N
MW377.58 g/mol
LogP4.15
Rot. Bonds7

About 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine

1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine (PubChem CID 127033888) has the molecular formula C25H35N3 and a molecular weight of 377.58 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine
PubChem CID127033888
Molecular FormulaC25H35N3
Molecular Weight377.58 g/mol
Exact Mass377.28
IUPAC Name1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine
SMILESc1ccc(CC2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C25H35N3/c1-3-8-23(9-4-1)22-24-12-16-26(17-13-24)14-7-15-27-18-20-28(21-19-27)25-10-5-2-6-11-25/h1-6,8-11,24H,7,12-22H2
InChIKeyKCPRNASEOVRNMY-UHFFFAOYSA-N
XLogP4.15
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine?
The IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine (CID 127033888) is 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine is c1ccc(CC2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine?
The InChIKey is KCPRNASEOVRNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3/c1-3-8-23(9-4-1)22-24-12-16-26(17-13-24)14-7-15-27-18-20-28(21-19-27)25-10-5-2-6-11-25/h1-6,8-11,24H,7,12-22H2.
What are the key properties of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine?
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine has a molecular weight of 377.58 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylpiperazine is sourced from PubChem (CID 127033888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).